tetrasodium 2-carboxylatooxycarbonyl-4-[octadecyl(sulfonato)amino]-4-oxidanylidene-butanoate

Systemtic Name: tetrasodium 2-carboxylatooxycarbonyl-4-[octadecyl(sulfonato)amino]-4-oxidanylidene-butanoate Openeye Name: tetrasodium 2-carboxylatooxycarbonyl-4-[octadecyl(sulfonato)amino]-4-oxo-butanoate CAS Name: tetrasodium 2-[carboxylatooxy(oxo)methyl]-4-[octadecyl(sulfonato)amino]-4-oxobutanoate IUPAC Name: tetrasodium 2-carboxylatooxycarbonyl-4-[octadecyl(sulfonato)amino]-4-oxobutanoate Traditional Name: tetrasodium 2-carboxylatooxycarbonyl-4-keto-4-[stearyl(sulfonato)amino]butyrate Formula: C96H160N4Na4O40S4-8 MolecularWeight: 2230.51948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(=O)CC(C(=O)[O-])C(=O)OC(=O)[O-])S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCN(C(=O)CC(C(=O)[O-])C(=O)OC(=O)[O-])S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCN(C(=O)CC(C(=O)[O-])C(=O)OC(=O)[O-])S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCN(C(=O)CC(C(=O)[O-])C(=O)OC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(=O)CC(C(=O)[O-])C(=O)OC(=O)[O-])S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCN(C(=O)CC(C(=O)[O-])C(=O)OC(=O)[O-])S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCN(C(=O)CC(C(=O)[O-])C(=O)OC(=O)[O-])S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCN(C(=O)CC(C(=O)[O-])C(=O)OC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C24H43NO10S.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(36(32,33)34)21(26)19-20(22(27)28)23(29)35-24(30)31;;;;/h4*20H,2-19H2,1H3,(H,27,28)(H,30,31)(H,32,33,34);;;;/q;;;;4*+1/p-12